N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C25H23F2N5O — CID 56942300

IUPACN-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C25H23F2N5O/c26-19-8-6-17(7-9-19)12-13-28-25(33)22-16-29-23-10-11-24(30-32(22)23)31-14-2-5-21(31)18-3-1-4-20(27)15-18/h1,3-4,6-11,15-16,21H,2,5,12-14H2,(H,28,33)/t21-/m1/s1
InChIKeyMJWWAOLHHNOTNC-OAQYLSRUSA-N
MW447.49 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56942300) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56942300
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C25H23F2N5O/c26-19-8-6-17(7-9-19)12-13-28-25(33)22-16-29-23-10-11-24(30-32(22)23)31-14-2-5-21(31)18-3-1-4-20(27)15-18/h1,3-4,6-11,15-16,21H,2,5,12-14H2,(H,28,33)/t21-/m1/s1
InChIKeyMJWWAOLHHNOTNC-OAQYLSRUSA-N
XLogP4.32
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56942300) is N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MJWWAOLHHNOTNC-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23F2N5O/c26-19-8-6-17(7-9-19)12-13-28-25(33)22-16-29-23-10-11-24(30-32(22)23)31-14-2-5-21(31)18-3-1-4-20(27)15-18/h1,3-4,6-11,15-16,21H,2,5,12-14H2,(H,28,33)/t21-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56942300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).